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MMsINC code: MMs00335691

Type: Neutral
Formula: C₁₈H₂₀FN₃O₃

SMILES:

Fc1ccc(cc1)C(=O)C(N1C=CC=CC1=O)C(=O)NCCN(C)C

InChI:

InChI=1/C18H20FN3O3/c1-21(2)12-10-20-18(25)16(22-11-4-3-5-15(22)23)17(24)13-6-8-14(19)9-7-13/h3-9,11,16H,10,12H2,1-2H3,(H,20,25)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.57 kcal/mol

Physical Properties
Molecular Weight: 345.374 g/mol	logS: -3.04904	SlogP: 0.9669	Reactive groups: 0

Topological Properties
Globularity: 0.129388	Sterimol/B1: 2.84342	Sterimol/B2: 2.95804	Sterimol/B3: 4.51997
Sterimol/B4: 8.32155	Sterimol/L: 15.6069

Surface and Volume Properties
Accessible surface: 592.84	Positive charged surface: 373.859	Negative charged surface: 218.982	Volume: 322.125
Hydrophobic surface: 525.169	Hydrophilic surface: 67.671

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00335692
ASINEX-ZINC04435492